SCHEMBL2332500

SCHEMBL2332500

CCCC1CC(=O)N(Cn2cnc3c(NCc4ccccc4)ncnc32)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 5/20 0.59
ADORA2A P29274 5/20 0.59
ADORA1 P30542 5/20 0.59
RAB9A P51151 3/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
CDK1 P06493 2/20 0.50
CCNB2 O95067 1/20 0.48
CCNB1 P14635 1/20 0.48
CDK2 P24941 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
ADORA2B P29275 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
ADORA3 P0DMS8 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15720248 0.87 TMIGD3 (0.43) TMIGD3ADORA2AADORA1RAB9AKMT2A
SCHEMBL2334879 0.85 ADORA1 (0.39) TMIGD3ADORA2AADORA1RAB9AKMT2A
SCHEMBL1664988 0.82 ADORA1 (0.43) ADORA2AADORA1ADORA2BADORA3
SCHEMBL2332219 0.78 ADORA2A (0.51) ADORA2AADORA1ADORA2B
SCHEMBL6950039 0.78 FDPS (0.40) ADORA2AADORA1ADORA2B
SCHEMBL27734468 0.76 TMIGD3 (1.00) TMIGD3ADORA2AADORA1RAB9AKMT2A
SCHEMBL22571186 0.75 TMIGD3 (0.81) TMIGD3ADORA2AADORA1RAB9AKMT2A
SCHEMBL17933852 0.72 ADORA2A (0.74) TMIGD3ADORA2AADORA1RAB9AKMT2A
SCHEMBL5057753 0.71 FDPS (0.39) KMT2AHDAC1
SCHEMBL1668849 0.71 CSF1R (0.38) KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178533-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2012-05-15 US claimed
EP-3610890-A1 METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA The Johns Hopkins University (US) 2020-02-19 EP disclosed
EP-2533645-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2012-12-19 EP disclosed
WO-2011100373-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2011-08-18 WO disclosed